4-[[1,3-diethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-nitro-phenolate

Systemtic Name: 4-[[1,3-diethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(1,3-diethyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-nitro-phenolate CAS Name: 4-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-nitrophenolate IUPAC Name: 4-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-nitrophenolate Traditional Name: 4-[(1,3-diethyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-nitro-phenolate Formula: C15H14N3O5S- MolecularWeight: 348.35376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)N(C1=S)CC

Isomeric SMILES

CCN1C(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)N(C1=S)CC

InChI

InChI=1S/C15H15N3O5S/c1-3-16-13(20)10(14(21)17(4-2)15(16)24)7-9-5-6-12(19)11(8-9)18(22)23/h5-8,19H,3-4H2,1-2H3/p-1